SCHEMBL7194643

SCHEMBL7194643

CCCOc1cc(OCCC)c(OCCC)c(C(=O)/C=C/c2cc(CC)ccc2OCCC)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
DPP4 P27487 3/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PTPN1 P18031 1/20 0.38
ALOX5 P09917 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7194645 1.00 AR (0.44) ARDPP4CYP1A1CYP1B1PDE4A
SCHEMBL7190220 0.94 DPP4 (0.44) ARDPP4CYP1A1CYP1B1PDE4A
SCHEMBL7190211 0.94 DPP4 (0.44) ARDPP4CYP1A1CYP1B1PDE4A
SCHEMBL7196362 0.94 PDE4A (0.42) ARDPP4PDE4APDE4BPDE4C
SCHEMBL7188109 0.93 CYSLTR2 (0.43) ARDPP4PDE4APDE4BPDE4C
SCHEMBL7189169 0.90 PDE4A (0.49) ARDPP4CYP1A1CYP1B1PDE4A
SCHEMBL7189178 0.90 PDE4A (0.49) ARDPP4CYP1A1CYP1B1PDE4A
SCHEMBL7190186 0.88 XDH (0.46) ARDPP4CYP1A1CYP1B1PDE4A
SCHEMBL7190198 0.88 XDH (0.46) ARDPP4CYP1A1CYP1B1PDE4A
SCHEMBL7193637 0.87 XDH (0.47) ARDPP4CYP1A1CYP1B1PDE4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 AR 3083/4885DPP4 1733/4885CYP1A1 32/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.